SCHEMBL9808951

SCHEMBL9808951

Nc1ccc(-c2cc(F)ccc2[S+]([O-])c2ccc(F)cc2-c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.39
PDE7A Q13946 1/20 0.37
PGR P06401 1/20 0.37
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
HSPB1 P04792 1/20 0.35
DHFR P00374 1/20 0.34
AR P10275 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10452550 0.84 TDP1 (0.55) TDP1MAPTMEN1POLBKMT2A
SCHEMBL9808906 0.84 TSHR (0.60) TDP1MAPTMEN1POLBKMT2A
SCHEMBL10509379 0.84 DHFR (0.45) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL9808937 0.84 MAPT (0.55) TDP1MAPTMEN1POLBKMT2A
SCHEMBL9808901 0.81 MEN1 (0.42) TDP1MEN1KMT2AALDH1A1
SCHEMBL9808928 0.81 MAPT (0.51) TDP1MAPTMEN1POLBKMT2A
SCHEMBL9808940 0.81 MAPT (0.51) TDP1MAPTMEN1POLBKMT2A
SCHEMBL29655271 0.80 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL720358 0.78 TDP1 (0.79) TDP1MAPTMEN1POLBKMT2A
SCHEMBL537892 0.77 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956007-A Nitraminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYOR RT. (HU) 1990-09-11 US claimed
US-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4956007-A Nitraminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYOR RT. (HU) 1990-09-11 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed